Workunit 31589744
| name | shp2_A22_A05_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4452 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:21 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643129 | 651032 | 7 May 2026, 10:47:44 UTC | 7 May 2026, 12:29:31 UTC | Error while computing | 5,910.84 | 4,569.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643330 | 638061 | 7 May 2026, 12:29:41 UTC | 7 May 2026, 14:40:00 UTC | Error while computing | 2,719.33 | 2,614.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643471 | 628466 | 7 May 2026, 14:40:07 UTC | 7 May 2026, 15:32:17 UTC | Error while computing | 2,113.17 | 1,596.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643550 | 615368 | 7 May 2026, 15:32:24 UTC | 7 May 2026, 15:47:36 UTC | Error while computing | 722.01 | 1.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643576 | 648092 | 7 May 2026, 15:47:53 UTC | 7 May 2026, 15:48:26 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643577 | 633196 | 7 May 2026, 15:48:40 UTC | 7 May 2026, 17:33:43 UTC | Error while computing | 5,476.92 | 5,476.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643689 | 618582 | 7 May 2026, 17:33:48 UTC | 7 May 2026, 20:49:21 UTC | Error while computing | 4,489.60 | 4,449.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643843 | 619497 | 7 May 2026, 20:49:28 UTC | 8 May 2026, 0:00:09 UTC | Error while computing | 467.73 | 334.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643966 | 646235 | 8 May 2026, 0:01:36 UTC | 8 May 2026, 0:51:35 UTC | Error while computing | 2,127.88 | 2,124.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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